6 5 0 0000 0 0 0 0 0999 V2000 0.0000 -3.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3318 -3.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9954 -4.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9954 -2.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1.3318 -1.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9954 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 M END > InChI=1S/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6) > HWJHZLJIIWOTGZ-UHFFFAOYSA-N > 1/1/N:1,5,2,4,6,3/rA:6nCCONCO/rB:s1;d2;s2;s4;s5;/rC:0,-3.4563,0;1.3318,-3.4563,0;1.9954,-4.6084,0;1.9954,-2.3042,0;1.3318,-1.1521,0;1.9954,0,0; > C3 H7 N O2 > 89.09318 > CC(NCO)=O > 62574 $$$$